Summary

IMPPAT Phytochemical identifier: IMPHY002980

Phytochemical name: Agehoustin A

Synonymous chemical names:
agehoustin a

External chemical identifiers:
CID:389483, ChEMBL:CHEMBL1994389

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Chemical structure information

SMILES:
COc1c(cc(c(c1OC)OC)OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC

InChI:
InChI=1S/C23H26O10/c1-25-14-9-11(16(26-2)20(29-5)17(14)27-3)13-10-12(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-13/h9-10H,1-8H3

InChIKey:
FQTCPUGUEKKPCH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC)))OC)))OC))))ccc=O)cco6)cOC))ccc6OC)))OC)))OC

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.922

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Chemical structure download